new feature: preview and import of pshell data files

new functions:
- voigt_fwhm_lor
- rotate_hemi_scan
- import_tpi_scan
- draw_diffraction_cone

updated functions:
- interpolate_hemi_scan
- display_hemi_scan
- duplicate_hemi_scan

updated documentation:
- installation instructions
- readme

README.md

@@ -0,0 +1,34 @@
+Introduction
+============
+
+PEARL Procedures is a suite of Igor Pro procedures developed for data acquisition and data processing at the PEARL beamline at the Swiss Light Source.
+
+
+Installation
+============
+
+PEARL Procedures should be installed according to the regular Igor Pro guidelines. Please read the Igor help `About Igor Pro User Files` for details.
+
+- Make a `pearl-procs` directory in your private or shared `User Procedures` folder, and copy the PEARL Procedures distribution there.
+- Create shortcuts of the `pearl-arpes.ipf` and `pearl-menu.ipf` files, and move them to the `Igor Procedures` folder next to your `User Procedures` folder.
+- Find the `HDF5.XOP` extension in the `Igor Pro Folder` under `More Extensions/File Loaders`, create a shortcut, and move the shortcut to the `Igor Extensions` folder next to your `User Procedures` folder.
+- Find the `HDF5 Help.ihf` next to `HDF5.XOP`, create a shortcut, and move the shortcut to the `Igor Help Files` folder next to your `User Procedures` folder.
+
+
+License
+=======
+
+The source code of PEARL Procedures is available under the [Apache License, Version 2.0](http://www.apache.org/licenses/LICENSE-2.0) at <https://git.psi.ch/pearl-public/igor-procs>.
+Users of PEARL Procedures are requested to coordinate and share the development of the code with the original author.
+Please read and respect the respective license agreements.
+
+Author
+------
+
+Matthias Muntwiler, <mailto:matthias.muntwiler@psi.ch>
+
+Copyright
+---------
+
+Copyright 2009-2016 by [Paul Scherrer Institut](http://www.psi.ch)
+

doc/Doxyfile

@@ -758,7 +758,8 @@ WARN_LOGFILE           =
 # spaces.
 # Note: If this tag is empty the current directory is searched.
 
-INPUT                  = ../pearl
+INPUT                  = ../pearl \
+                         src
 
 # This tag can be used to specify the character encoding of the source files
 # that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses
@@ -778,7 +779,8 @@ INPUT_ENCODING         = CP1252
 # *.md, *.mm, *.dox, *.py, *.f90, *.f, *.for, *.tcl, *.vhd, *.vhdl, *.ucf,
 # *.qsf, *.as and *.js.
 
-FILE_PATTERNS          = *.ipf
+FILE_PATTERNS          = *.ipf \
+                         *.dox
 
 # The RECURSIVE tag can be used to specify whether or not subdirectories should
 # be searched for input files as well.
@@ -863,7 +865,7 @@ IMAGE_PATH             =
 # code is scanned, but not when the output code is generated. If lines are added
 # or removed, the anchors will not be placed correctly.
 
-INPUT_FILTER           = "gawk -f doxygen-filter-ipf.awk"
+INPUT_FILTER           =
 
 # The FILTER_PATTERNS tag can be used to specify filters on a per file pattern
 # basis. Doxygen will compare the file name with each pattern and apply the
@@ -872,7 +874,7 @@ INPUT_FILTER           = "gawk -f doxygen-filter-ipf.awk"
 # filters are used. If the FILTER_PATTERNS tag is empty or if none of the
 # patterns match the file name, INPUT_FILTER is applied.
 
-FILTER_PATTERNS        = 
+FILTER_PATTERNS        = "*.ipf=\"gawk -f doxygen-filter-ipf.awk\""
 
 # If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using
 # INPUT_FILTER) will also be used to filter the input files that are used for

doc/makefile

@@ -11,6 +11,9 @@ DOX=doxygen
 DOXOPTS=
 LATEX_DIR=latex
 
+REVISION=$(shell git describe --always --tags --dirty --long)
+export REVISION
+
 all: docs
 
 docs: doxygen pdf
@@ -24,4 +27,3 @@ pdf: doxygen
 clean:
 	-rm latex/*
 	-rm html/*
-

doc/src/mainpage.dox

@@ -0,0 +1,27 @@
+/*! @mainpage Introduction
+\section sec_intro Introduction
+
+PEARL Procedures is a suite of Igor Pro procedures developed for data acquisition and data processing at the PEARL beamline at the Swiss Light Source.
+
+
+\section sec_install Installation
+
+PEARL Procedures should be installed according to the regular Igor Pro guidelines. Please read the Igor help `About Igor Pro User Files` for details.
+
+- Make a `pearl-procs` directory in your private or shared `User Procedures` folder, and copy the PEARL Procedures distribution there.
+- Create shortcuts of the `pearl-arpes.ipf` and `pearl-menu.ipf` files, and move them to the `Igor Procedures` folder next to your `User Procedures` folder.
+- Find the `HDF5.XOP` extension in the `Igor Pro Folder` under `More Extensions/File Loaders`, create a shortcut, and move the shortcut to the `Igor Extensions` folder next to your `User Procedures` folder.
+- Find the `HDF5 Help.ihf` next to `HDF5.XOP`, create a shortcut, and move the shortcut to the `Igor Help Files` folder next to your `User Procedures` folder.
+
+
+\section sec_license License Information
+
+An open distribution of PEARL Procedures is available under the [Apache License, Version 2.0](http://www.apache.org/licenses/LICENSE-2.0) at <https://git.psi.ch/pearl-public/igor-procs>.
+Users of PEARL Procedures are requested to coordinate and share the development of the code with the original author.
+Please read and respect the respective license agreements.
+
+\author    Matthias Muntwiler, <mailto:matthias.muntwiler@psi.ch>
+\version   This documentation is compiled from revision $(REVISION).
+\copyright 2009-2016 by [Paul Scherrer Institut](http://www.psi.ch)
+\copyright Licensed under the [Apache License, Version 2.0](http://www.apache.org/licenses/LICENSE-2.0)
+*/

mm/mm-physconst.ipf

@@ -0,0 +1,97 @@
+#pragma rtGlobals=1		// Use modern global access method.
+#pragma version = 1.05
+
+// physical constants
+// original version: 03-05-23 by mm
+// $Id$
+
+// source: CODATA 2002 [Rev. Mod. Phys. 77, 1 (2005)]
+
+// universal constants
+
+constant kSpeedOfLight = 2.99792458e8 // m/s
+constant kMagnField = 1.25663706144e-6 // V s / A / m
+constant kElField = 8.854187817620e-12 // A s / V / m
+
+constant kGravitation = 6.6742e-11 // m^3 / kg / s^2
+
+constant kHBar =  6.58211915e-16 // eV s
+constant kPlanckBar = 6.58211915e-16 // eV s
+constant kPlanck = 4.13566743e-15 // eV s
+constant kHBarC = 197.326968 // MeV fm
+constant kHC = 1239.84190605 // eV nm
+constant kHCicm = 1239.84190605e-7 // eV cm^-1
+constant kPlanckBarSI = 1.05457168e-34 // J s
+constant kPlanckSI = 6.6260693e-34 // J s
+
+// electromagnetic constants
+
+constant kElCharge = 1.60217653e-19 // A s
+constant kMagnFlux = 2.06783372e-15 // Wb
+constant kConductance = 7.748091733e-5 // S
+
+constant kBohrMagneton = 5.788381804e-5 // eV T^-1
+constant kBohrMagnetonSI = 9.27400949e-24 // J T^-1 = A m^2
+constant kNuclearMagneton = 3.152451259e-8 // eV T^-1
+constant kNuclearMagnetonSI = 5.05078343e-27 // J T^-1
+
+// atomic and nuclear constants
+
+constant kFineStruct = 7.297352568e-3
+constant kInvFineStruct = 137.03599911
+
+constant kRydberg = 10973731.568525 // m^-1
+constant kRydbergEnergy = 13.6056923 // eV
+constant kBohrRadius = 0.5291772108e-10 // m
+constant kHartreeEnergy = 27.2113845 // eV
+constant kHartreeEnergySI = 4.35974417 // J
+
+constant kElectronMass = 510.998918e3 // eV c^-2
+constant kMuonMass = 105.6583692e6 // eV c^-2
+constant kProtonMass = 938.272029e6 // eV c^-2
+constant kNeutronMass = 939.565360e6 // eV c^-2
+constant kElectronMassSI = 9.1093826e-31 // kg
+constant kProtonMassSI = 1.67262171e-27 // kg
+
+constant kComptonWavelength = 2.426310238e-12 // m
+constant kElectronRadius = 2.817940325e-15 // m
+constant kThomsonCrossSection = 0.665245873e-28 // m^2
+constant kElectronGFactor = -2.0023193043718
+
+// physico-chemical constants
+
+constant kAvogadro = 6.0221415e23 // 1 / mol
+
+constant kAtomicMassUnit = 931.494043e6 // eV / c^2
+constant kAtomicMassUnitSI = 1.66053886e-27 // kg
+
+constant kMolarGasSI = 8.314472 // J / K / mol
+constant kBoltzmann = 8.617343e-5 // eV / K
+constant kBoltzmannSI = 1.3806505e-23 // J /K
+constant kWien = 2.8977685e-3 // m K
+constant kStefanBoltzmann = 5.670400e-8 // W m^-2 K^-4
+
+constant kJoulesPerEV = 1.60217653e-19 // J / eV
+constant kEVPerHartree = 27.2113845 // eV / Eh
+
+// custom constants
+
+constant kFreeElectronDispersion = 3.79736 // eV Angstrom^2
+	// = h_bar^2 * c^2 / (2 * m_e)
+	// for E = kFreeElectronDispersion * k^2
+
+threadsafe function FreeElectronWavelength(ekin, [v0, meff])
+	// Wavelength of a quasi-free electron in meters
+	variable ekin	// kinetic energy of the electron in eV
+	variable v0	// inner potential (where applicable), default = 0
+	variable meff	// effective mass relative to free electron, default = 1
+	
+	if (ParamIsDefault(v0))
+		v0 = 0
+	endif
+	if (ParamIsDefault(meff))
+		meff = 1
+	endif
+	
+	return khc * 1e-9 / sqrt(2 * kElectronMass * meff * (ekin + v0))
+end

pearl/pearl-anglescan-process.ipf

@@ -1204,6 +1204,7 @@ function duplicate_hemi_scan(source_nickname, dest_folder, dest_nickname, [xpdpl
 	string s_theta = s_prefix + "th"
 	string s_tot = s_prefix + "tot"
 	string s_weight = s_prefix + "wt"
+	string s_matrix = s_prefix + "matrix"
 
 	wave theta1 = $s_theta
 	wave polar1 = $s_polar
@@ -1211,6 +1212,7 @@ function duplicate_hemi_scan(source_nickname, dest_folder, dest_nickname, [xpdpl
 	wave tot1 = $s_tot
 	wave weight1 = $s_weight
 	wave values1 = $s_int
+	wave /z matrix1 = $s_matrix
 	
 	variable npol = numpnts(theta1)
 	
@@ -1230,6 +1232,7 @@ function duplicate_hemi_scan(source_nickname, dest_folder, dest_nickname, [xpdpl
 	s_theta = s_prefix + "th"
 	s_tot = s_prefix + "tot"
 	s_weight = s_prefix + "wt"
+	s_matrix = s_prefix + "matrix"
 
 	wave theta2 = $s_theta
 	wave polar2 = $s_polar
@@ -1241,6 +1244,9 @@ function duplicate_hemi_scan(source_nickname, dest_folder, dest_nickname, [xpdpl
 	tot2 = tot1
 	weight2 = weight1
 	values2 = values1
+	if (waveexists(matrix1))
+		duplicate /o matrix1, $s_matrix
+	endif
 	
 	if (!(NumberByKey("version", note(azim1), "=", "\r") >= 1.6))
 		azim2 += 180	// changed 151030 (v1.6)
@@ -1250,6 +1256,48 @@ function duplicate_hemi_scan(source_nickname, dest_folder, dest_nickname, [xpdpl
 	setdatafolder saveDF
 end
 
+/// azimuthally rotate a hemispherical scan dataset.
+///
+/// this function works only for hemi scans created by make_hemi_grid() (or compatible functions).
+///
+/// @param	nickname		name prefix for waves. source data must be in current data folder.
+/// @param	angle			azimuthal rotation angle in degrees.
+///
+function rotate_hemi_scan(nickname, angle)
+	string nickname
+	variable angle
+	
+	dfref savedf = getdatafolderdfr()
+
+	if (strlen(nickname))
+		string s_prefix = nickname + "_"
+		string s_int = s_prefix + "i"
+	else
+		s_prefix = ""
+		s_int = "values"
+	endif
+	string s_polar = s_prefix + "pol"
+	string s_azim = s_prefix + "az"
+	string s_tot = s_prefix + "tot"
+	string s_weight = s_prefix + "wt"
+	
+	wave polar = $s_polar
+	wave azim = $s_azim
+	wave tot = $s_tot
+	wave weight = $s_weight
+	wave values = $s_int
+
+	azim += angle
+	azim = azim < 0 ? azim + 360 : azim
+	azim = azim >= 360 ? azim - 360 : azim
+
+	duplicate /free polar, neg_polar
+	neg_polar = -polar
+	sort {neg_polar, azim}, polar, azim, tot, weight, values
+	
+	setdatafolder saveDF
+end
+
 /// display a plot of a hemispherical angle scan.
 ///
 /// the scan data must exist in the current data folder.
@@ -1264,10 +1312,29 @@ end
 ///	@arg	0				linear
 ///	@arg	1				stereographic (default)
 ///	@arg	2				azimuthal
+///	@arg	3				gnomonic (0 <= polar < 90).
 ///
 /// @param	graphtype		type of graph
-///	@arg	1				Igor "New Polar" (default)
+///	@arg	1				(pol, az) trace in Igor "New Polar" (default).
-///	@arg	2				XPDplot (reserved, not implemented)
+///	@arg	2				XPDplot (reserved, not implemented).
+///	@arg	3				matrix in Igor "New Polar".
+///							the matrix wave is a 2D wave with X and Y scaling corresponding to the selected projection.
+///							matrix waves can be created by interpolate_hemi_scan().
+///							note: the pol and az waves are required as well.
+///
+/// @param	do_ticks			select which ticks to draw. 
+///							value must be the arithmetic OR of all selected items.
+///							default: 3
+///	@arg	0				none
+///	@arg	1				major azimuthal
+///	@arg	2				minor azimuthal
+///S
+/// @param	do_grids			select which grids to draw. 
+///							value must be the arithmetic OR of all selected items.
+///							default: 3
+///	@arg	0				none
+///	@arg	1				radius at 0 and 90 degree azimuth
+///	@arg	2				circle at 30 and 60 degree polar
 ///
 /// @param	graphname		name of graph window. default: nickname
 ///							if empty, a default name is assigned.
@@ -1275,10 +1342,12 @@ end
 ///
 /// @returns the name of the graph window
 ///
-function /s display_hemi_scan(nickname, [projection, graphtype, graphname])
+function /s display_hemi_scan(nickname, [projection, graphtype, do_ticks, do_grids, graphname])
 	string nickname
 	variable projection
 	variable graphtype
+	variable do_ticks
+	variable do_grids
 	string graphname
 	
 	if (ParamIsDefault(projection))
@@ -1287,6 +1356,12 @@ function /s display_hemi_scan(nickname, [projection, graphtype, graphname])
 	if (ParamIsDefault(graphtype))
 		graphtype = 1
 	endif
+	if (ParamIsDefault(do_ticks))
+		do_ticks = 3
+	endif
+	if (ParamIsDefault(do_grids))
+		do_grids = 3
+	endif
 	if (ParamIsDefault(graphname))
 		if (strlen(nickname) > 0)
 			graphname = nickname
@@ -1305,9 +1380,12 @@ function /s display_hemi_scan(nickname, [projection, graphtype, graphname])
 	endif
 	string s_polar = s_prefix + "pol"
 	string s_azim = s_prefix + "az"
+	string s_matrix = s_prefix + "matrix"
+	
 	wave /z values = $s_int
 	wave /z azim = $s_azim
 	wave /z polar = $s_polar
+	wave /z matrix = $s_matrix
 
 	string s_ster_rad = s_prefix + "ster_rad"
 	duplicate /o polar, $s_ster_rad /wave=ster_rad
@@ -1325,11 +1403,12 @@ function /s display_hemi_scan(nickname, [projection, graphtype, graphname])
 		azim_offset = 180	// changed 151030 (v1.6)
 	endif
 
+	string s_trace
 	switch(graphtype)
 		case 1:
-			graphname = display_polar_graph(graphname, angle_offset=azim_offset)
+			graphname = display_polar_graph(graphname, angle_offset=azim_offset, do_ticks=do_ticks)
 
-			string s_trace = WMPolarAppendTrace(graphname, ster_rad, azim, 360)
+			s_trace = WMPolarAppendTrace(graphname, ster_rad, azim, 360)
 			ModifyGraph /W=$graphname mode($s_trace)=2, lsize($s_trace)=2
 			ModifyGraph /W=$graphname zColor($s_trace)={values,*,*,BlueGreenOrange,0}
 			
@@ -1338,7 +1417,21 @@ function /s display_hemi_scan(nickname, [projection, graphtype, graphname])
 			ColorScale /W=$graphname /C /N=text0 nticks=2, minor=1, tickLen=4.00, tickThick=0.50
 
 			SetWindow $graphname, userdata(projection)=num2str(projection)
-			draw_hemi_axes(graphname)
+			draw_hemi_axes(graphname, do_grids=do_grids)
+			break
+		case 3:
+			graphname = display_polar_graph(graphname, angle_offset=azim_offset, do_ticks=do_ticks)
+
+			s_trace = WMPolarAppendTrace(graphname, ster_rad, azim, 360)
+			ModifyGraph /W=$graphname mode($s_trace)=0, lsize($s_trace)=0
+			AppendImage /L=VertCrossing /B=HorizCrossing matrix
+
+			ColorScale /W=$graphname /C /N=text0 /E=2 /F=0 /B=1 /A=RB /X=0.00 /Y=0.00 image=$s_matrix
+			ColorScale /W=$graphname /C /N=text0 side=2, width=5, heightPct=40, frame=0.50, lblMargin=0
+			ColorScale /W=$graphname /C /N=text0 nticks=2, minor=1, tickLen=4.00, tickThick=0.50
+		
+			SetWindow $graphname, userdata(projection)=num2str(projection)
+			draw_hemi_axes(graphname, do_grids=do_grids)
 			break
 	endswitch
 	
@@ -1373,22 +1466,33 @@ end
 ///						for hemi grids created with earlier versions, 
 ///						it should be set to 180 for correct orientation.
 ///
+/// @param	do_ticks		select which ticks to draw. 
+///						value must be the arithmetic OR of all selected items.
+///						default: 3
+///	@arg	0			none
+///	@arg	1			major azimuthal
+///	@arg	2			minor azimuthal
+///
 /// @returns the name of the graph window.
 ///
 /// @version 1.7
 /// interface change: the trace drawing code is moved to display_hemi_scan,
 /// so that this function can be reused by other graph types, e.g. display_scanlines.
 ///
-static function /s display_polar_graph(graphname, [angle_offset])
+static function /s display_polar_graph(graphname, [angle_offset, do_ticks])
 	
 	string graphname
 	variable angle_offset
+	variable do_ticks
 	
 	dfref savedf = GetDataFolderDFR()
 	
 	if (ParamIsDefault(angle_offset))
 		angle_offset = 0
 	endif
+	if (ParamIsDefault(do_ticks))
+		do_ticks = 3
+	endif
 	
 	if ((strlen(graphname) == 0) || (wintype(graphname) == 0))
 		Display /k=1 /W=(10,45,360,345)
@@ -1408,15 +1512,28 @@ static function /s display_polar_graph(graphname, [angle_offset])
   
 		WMPolarGraphSetVar(graphname, "doPolarGrids", 0)
 		WMPolarGraphSetVar(graphname, "doRadiusTickLabels", 0)
-		WMPolarGraphSetStr(graphname, "radiusAxisWhere", " Off ")
+		WMPolarGraphSetStr(graphname, "radiusAxesWhere", "  Off")	// note the leading spaces, cf. WMPolarAnglesForRadiusAxes
+		WMPolarGraphSetStr(graphname, "radiusTicksLocation", "Off")
 
-		WMPolarGraphSetVar(graphname, "majorTickLength", 5)
+		WMPolarGraphSetVar(graphname, "majorTickLength", 2)
 		WMPolarGraphSetVar(graphname, "majorTickThick", 0.5)
-		WMPolarGraphSetVar(graphname, "minorTickLength", 3)
+		WMPolarGraphSetVar(graphname, "minorTickLength", 1)
 		WMPolarGraphSetVar(graphname, "minorTickThick", 0.5)
 		WMPolarGraphSetVar(graphname, "tickLabelOpaque", 0)
 		WMPolarGraphSetVar(graphname, "tickLabelFontSize", 7)
 
+		// changes
+		if (do_ticks & 1)
+			WMPolarGraphSetStr(graphname, "angleTicksLocation", "Outside")
+		else
+			WMPolarGraphSetStr(graphname, "angleTicksLocation", "Off")
+		endif
+		if (do_ticks & 2)
+			WMPolarGraphSetVar(graphname, "doMinorAngleTicks", 1)
+		else
+			WMPolarGraphSetVar(graphname, "doMinorAngleTicks", 0)
+		endif
+		
 		DoWindow /T $graphname, graphname
 
 		// cursor info in angles
@@ -1452,11 +1569,11 @@ static function /s display_polar_graph(graphname, [angle_offset])
 	return graphname
 end
 
-/// draw polar and azimuthal axes in an existing polar graph
+/// draw polar and azimuthal grids in an existing polar graph.
 ///
 /// the function adds the following draw objects to a polar graph:
-/// * concentric circles at polar angles 0, 30, 60, and 90 degrees with labels.
+/// * concentric circles at polar angles 0, 30, and 60 degrees with labels.
-/// * labels for azimuthal angles at 0, 30, 60, and 90 degrees.
+/// * radial axes at 0 and 90 degree azimuth.
 ///
 /// the objects are added to the ProgFront drawing layer and will appear in front of the data trace.
 /// in interactive drawing mode, you can select the active drawing layer by clicking the tree icon
@@ -1467,12 +1584,24 @@ end
 ///
 /// @param	graphname	name of graph window.
 ///
+/// @param	do_grids			select which optional grids to draw. 
+///							value must be the arithmetic OR of all selected items.
+///							default: 3
+///	@arg	0				none
+///	@arg	1				radius at 0 and 90 degree azimuth
+///	@arg	2				circle at 30 and 60 degree polar
+///
 /// @warning EXPERIMENTAL!
 ///			this function is under development.
 ///			the interface and behaviour of this function may change significantly in future versions.
-static function /s draw_hemi_axes(graphname)
+static function /s draw_hemi_axes(graphname, [do_grids])
 	string graphname
+	variable do_grids
 	
+	if (ParamIsDefault(do_grids))
+		do_grids = 3
+	endif
+
 	dfref savedf = GetDataFolderDFR()
 
 	string sproj = GetUserData(graphname, "", "projection")
@@ -1490,26 +1619,96 @@ static function /s draw_hemi_axes(graphname)
 	//SetDrawEnv /W=$graphname linefgc=(65535,65535,65535)
 	SetDrawEnv /W=$graphname save
 
-	variable radi
+	if (do_grids & 1)
-	radi = calc_graph_radius(0.5, projection=projection)
+		DrawLine /W=$graphname 0, -2, 0, 2
-	DrawOval /W=$graphname -radi, radi, radi, -radi
+		DrawLine /W=$graphname -2, 0, 2, 0
-	radi = calc_graph_radius(30, projection=projection)
+	endif
-	DrawOval /W=$graphname -radi, radi, radi, -radi
-	radi = calc_graph_radius(60, projection=projection)
-	DrawOval /W=$graphname -radi, radi, radi, -radi
-	DrawLine /W=$graphname 0, -2, 0, 2
-	DrawLine /W=$graphname -2, 0, 2, 0
 
-	SetDrawEnv /W=$graphname textxjust= 1,textyjust= 2
+	variable radi
-	SetDrawEnv /W=$graphname save
+	if (do_grids & 2)
-	radi = calc_graph_radius(30, projection=projection)
+		radi = calc_graph_radius(0.5, projection=projection)
-	DrawText /W=$graphname radi, -0.1, "30<33>"
+		DrawOval /W=$graphname -radi, radi, radi, -radi
-	radi = calc_graph_radius(60, projection=projection)
+		radi = calc_graph_radius(30, projection=projection)
-	DrawText /W=$graphname radi, -0.1, "60<36>"
+		DrawOval /W=$graphname -radi, radi, radi, -radi
+		radi = calc_graph_radius(60, projection=projection)
+		DrawOval /W=$graphname -radi, radi, radi, -radi
+
+		SetDrawEnv /W=$graphname textxjust= 1,textyjust= 2
+		SetDrawEnv /W=$graphname save
+		radi = calc_graph_radius(30, projection=projection)
+		DrawText /W=$graphname radi, -0.1, "30<33>"
+		radi = calc_graph_radius(60, projection=projection)
+		DrawText /W=$graphname radi, -0.1, "60<36>"
+	endif
 	
 	setdatafolder savedf
 end
 
+/// draw the circle of a diffraction cone in a stereographic polar graph.
+///
+/// the diffraction cone consists of a circle marking the diffraction ring, and a dot marking the axis.
+/// the cone is drawn as a group of draw objects on the UserFront layer.
+/// the objects can be edited interactively.
+///
+/// @param graphname		name of graph window (not implemented yet).
+///
+/// @param groupname		name of a drawing group.
+///							if the group exists (from a previous cone) it is replaced.
+///							if the group doesn't exist, a new one is created.
+///
+/// @param theta_axis			polar angle of the cone axis in degrees.
+///
+/// @param theta_inner		polar angle of the innermost point of the circle in degrees.
+///
+/// @param phi				azimuthal angle of the cone axis in degrees.
+///
+/// @warning EXPERIMENTAL!
+///			this function is under development.
+///			the interface and behaviour of this function may change significantly in future versions.
+///
+function draw_diffraction_cone(graphname, groupname, theta_axis, theta_inner, phi)
+	string graphname
+	string groupname
+	
+	variable theta_axis
+	variable theta_inner
+	variable phi
+	
+	variable r_axis = calc_graph_radius(theta_axis)
+	variable r_inner = calc_graph_radius(theta_inner)
+	variable r_outer = calc_graph_radius(2 * theta_axis - theta_inner)
+	
+	SetDrawEnv push
+	SetDrawLayer UserFront
+	DrawAction getgroup=$groupname, delete
+	SetDrawEnv gstart, gname=$groupname
+	variable xc, yc, xr, yr
+
+	// cone periphery
+	variable r_center = (r_outer + r_inner) / 2
+	variable r_radius = (r_outer - r_inner) / 2
+	xc = r_center * cos(phi * pi / 180)
+	yc = r_center * sin(phi * pi / 180)
+	xr = r_radius
+	yr = r_radius
+	SetDrawEnv xcoord=HorizCrossing, ycoord=VertCrossing
+	SetDrawEnv dash=11, fillpat=0
+	DrawOval xc - xr, yc - yr, xc + xr, yc + yr
+
+	// cone axis	
+	xc = r_axis * cos(phi * pi / 180)
+	yc = r_axis * sin(phi * pi / 180)
+	r_radius = calc_graph_radius(2)
+	xr = r_radius
+	yr = r_radius
+	SetDrawEnv xcoord=HorizCrossing, ycoord=VertCrossing
+	SetDrawEnv fillfgc=(0,0,0)
+	DrawOval xc - xr, yc - yr, xc + xr, yc + yr
+	
+	SetDrawEnv gstop
+	SetDrawEnv pop
+end
+
 /// display a polar graph with lines indicating the angles covered by an angle scan.
 ///
 /// @param	nickname	nick name for output data.
@@ -2021,7 +2220,13 @@ function hemi_add_aziscan(nickname, values, polar, azi, [weights])
 	w_values[d1, d1 + nd - 1] = w_totals[p] / w_weights[p]
 end
 
+/// interpolate a hemispherical scan onto a rectangular grid
+///
 /// @warning experimental
+/// this function has been tested for one specific set of scan parameters.
+/// the interface and code may change at any time.
+/// the function depends on the ster_x and ster_y waves that are created by display_hemi_scan.
+///
 function interpolate_hemi_scan(nickname)
 	string nickname
 
@@ -2044,21 +2249,26 @@ function interpolate_hemi_scan(nickname)
 	wave ster_x = $s_ster_x
 	wave ster_y = $s_ster_y
 	
-	wavestats /q/m=0 ster_x
+	variable min_ster_x = wavemin(ster_x)
-	variable x0 = v_min
+	variable max_ster_x = wavemax(ster_x)
+	variable x0 = min_ster_x
 	variable xn = 181
-	variable dx = (v_max - v_min) / (xn - 1)
+	variable dx = (max_ster_x - min_ster_x) / (xn - 1)
-	make /n=(v_npnts, 3) /free triplet
+	make /n=(numpnts(ster_x), 3) /free triplet
 	triplet[][0] = ster_x[p]
 	triplet[][1] = ster_y[p]
 	triplet[][2] = values[p]
 	//ImageInterpolate /stw /s={x0, dx, xn, x0, dx, xn} voronoi triplet
 
-	make /n=(181, 181) /d /o $(s_prefix + "matrix") /wave=matrix
+	variable size = 181
-	make /n=(181, 181) /free mnorm
+	make /n=(size, size) /d /o $(s_prefix + "matrix") /wave=matrix
+	make /n=(size, size) /free mnorm
 	ImageFromXYZ /as {ster_x, ster_y, values}, matrix, mnorm
 	matrix /= mnorm
-	//matrixfilter NanZapMedian, matrix
+	matrixfilter NanZapMedian, matrix
+	matrixfilter gauss, matrix
+	
+	matrix = (x^2 + y^2) < 4 ? matrix : nan
 end
 
 /// map angle scan data onto a rectangular grid in stereographic projection
@@ -2234,3 +2444,44 @@ function load_hemi_scan(nickname, pathname, filename)
 	
 	setdatafolder saveDF
 end
+
+/// import a hemispherical scan from theta-phi-intensity waves and display it
+///
+/// @warning EXPERIMENTAL
+/// the interface and behaviour of this function may change
+///
+function import_tpi_scan(nickname, theta, phi, intensity, [folding, npolar, nograph, xpdplot])
+	string nickname
+	wave theta
+	wave phi
+	wave intensity
+	
+	variable folding
+	variable npolar
+	variable nograph
+	variable xpdplot
+	
+	if (ParamIsDefault(npolar))
+		npolar = 91
+	endif
+	if (ParamIsDefault(nograph))
+		nograph = 0
+	endif
+	if (ParamIsDefault(folding))
+		folding = 1
+	endif
+	if (ParamIsDefault(xpdplot))
+		xpdplot = 0
+	endif
+	
+	make_hemi_grid(npolar, nickname, xpdplot=xpdplot)
+
+	variable ifold
+	duplicate /free phi, fold_phi
+	for (ifold = 0; ifold < folding; ifold += 1)
+		hemi_add_anglescan(nickname, intensity, theta, fold_phi)
+		fold_phi = fold_phi >= 180 ? fold_phi + 360 / folding - fold_phi : fold_phi + 360 / folding
+	endfor
+
+	display_hemi_scan(nickname)
+end

pearl/pearl-area-import.ipf

@@ -3,23 +3,35 @@
 #pragma ModuleName = PearlAreaImport
 #pragma version = 1.06
 #include <HDF5 Browser>
-#include "pearl-gui-tools", version >= 1.01
+#include "pearl-gui-tools"
 
-// HDF5 file import from EPICS area detectors
+// copyright (c) 2013-16 Paul Scherrer Institut
-// such as CCD cameras, 2D electron analysers
+//
+// Licensed under the Apache License, Version 2.0 (the "License");
+//   you may not use this file except in compliance with the License.
+//   You may obtain a copy of the License at
+//   http:///www.apache.org/licenses/LICENSE-2.0
 
-// restriction: as of version 6.3, Igor can open datasets of up to rank 4.
+/// @file
-// i.e. the extra dimension Y of the file plugin cannot be used.
+/// @brief HDF5 file import from EPICS area detectors
-// the extra dimensions N and X are supported.
+/// @ingroup ArpesPackage
+///
+///
+/// HDF5 file import from EPICS area detectors
+/// such as CCD cameras, 2D electron analysers
+///
+/// as of Igor 6.3, Igor can open datasets of up to rank 4.
+/// i.e. the extra dimension Y of the file plugin cannot be used.
+/// the extra dimensions N and X are supported.
 
-// created: matthias.muntwiler@psi.ch, 2013-05-31
+/// @namespace PearlAreaImport
-// Copyright (c) 2013 Paul Scherrer Institut
+/// @brief HDF5 file import from EPICS area detectors
-// $Id$
+///
+/// PearlAreaImport is declared in @ref pearl-area-import.ipf.
 
-//------------------------------------------------------------------------------
+/// callback function for drag&drop of HDF5 files into Igor.
+///
 static function BeforeFileOpenHook(refNum,fileName,path,type,creator,kind)
-	// allows drag&drop of data files into an open igor window
-	// this works only with igor 5.02 or later
 	variable refNum, kind
 	string fileName, path, type, creator
 	
@@ -57,20 +69,37 @@ static function BeforeFileOpenHook(refNum,fileName,path,type,creator,kind)
 	return handledOpen // 1 tells Igor not to open the file
 End
 
+/// generate the name of a data folder based on a file name.
+///
+/// if the file name follows the naming convention source-date-index.extension,
+/// the function tries to generate the nick name as source_date_index.
+/// otherwise it's just a cleaned up version of the file name.
+///
+/// date must be in yyyymmdd or yymmdd format and is clipped to the short yymmdd format.
+/// index should be a running numeric index of up to 6 digits, or the time encoded as hhmmss.
+/// however, in the current version index can be any string that can be a valid Igor folder name.
+///
+/// @param	filename		file name, including extension. can also include a folder path (which is ignored).
+///						the extension is currently ignored, but may be used to select the parent folder in a later version.
+/// @param	ignoredate	if non-zero, the nick name will not include the date part.
+///						defaults to zero.
+/// @param	sourcename	nick name of the data source.
+///						by default, the function tries to detect the source from the file name.
+///						this option can be used to override auto-detection.
+///						the automatic source names are: 
+///						sci (scienta by area detector), 
+///						psh (pshell),
+///						sl (optics slit camera by area detector),
+///						es (end station camera by area detector),
+///						xy (unidentified).
+/// @param	unique		if non-zero, the resulting name is made a unique data folder name in the current data folder
+///						defaults to zero.
+///
 function /s ad_suggest_foldername(filename, [ignoredate,sourcename,unique])
-	// suggests the name of a data folder based on a file name
+	string filename
-	// if the file name follows the naming convention source-date-index.extension,
+	variable ignoredate
-	// the function tries to generate the nick name as source_date_index.
+	string sourcename
-	// otherwise it's just a cleaned up version of the file name.
+	variable unique
-	string filename // file name, including extension. can also include a folder path (which is ignored)
-		// the extension is currently ignored, but may be used later to select the parent folder
-	variable ignoredate // if non-zero, the nick name will not include the date part
-		// defaults to zero
-	string sourcename // nick name of the data source
-		// the function tries to detect the source from the file name
-		// this option can be used to override auto-detection
-	variable unique // if non-zero, the resulting name is made a unique data folder name in the current data folder
-		// defaults to zero
 	
 	if (ParamIsDefault(ignoredate))
 		ignoredate = 0
@@ -86,6 +115,8 @@ function /s ad_suggest_foldername(filename, [ignoredate,sourcename,unique])
 	string autosource
 	if (strsearch(basename, "scienta", 0, 2) >= 0)
 		autosource = "sci"
+	elseif (strsearch(basename, "pshell", 0, 2) >= 0)
+		autosource = "psh"
 	elseif (strsearch(basename, "OP-SL", 0, 2) >= 0)
 		autosource = "sl"
 	elseif (strsearch(basename, "ES-PS", 0, 2) >= 0)
@@ -99,8 +130,12 @@ function /s ad_suggest_foldername(filename, [ignoredate,sourcename,unique])
 	
 	variable nparts = ItemsInList(basename, "-")
 	if (nparts >= 3)
-		string datepart = StringFromList(nparts - 2, basename, "-")
+		string datepart = StringFromList(1, basename, "-")
-		string indexpart = StringFromList(nparts - 1, basename, "-")
+		variable l_datepart = strlen(datepart)
+		if (l_datepart == 8)
+			datepart = datepart[l_datepart-6, l_datepart-1]
+		endif
+		string indexpart = StringFromList(2, basename, "-")
 		if (ignoredate)
 			sprintf nickname, "%s_%s", sourcename, indexpart
 		else
@@ -117,10 +152,12 @@ function /s ad_suggest_foldername(filename, [ignoredate,sourcename,unique])
 	return nickname
 end
 
+/// load area detector data files selected in a file dialog window
+///
+/// @param  APathName	Igor symbolic path name.
+///						if empty, Igor will choose a folder on its own
 function ad_load_dialog(APathName)
-	// loads data files selected in a file dialog window
+	string APathName
-	string APathName // igor symbolic path name
-		// if empty, Igor will choose a folder on its own
 	
 	variable refNum
 	string message = "Select data files"
@@ -148,17 +185,23 @@ function ad_load_dialog(APathName)
 	setdatafolder saveDF
 end
 
-//------------------------------------------------------------------------------
+/// import everything from a HDF5 file created by the Area Detector software.
+///
+/// if the data is from the electron analyser driver and some special attributes are included,
+/// the function will set the scales of the image dimensions.
+///
+/// @param ANickName	destination folder name (top level under root)
+/// @param APathName	igor symbolic path name. can be empty if the path is specified in FileName or a dialog box should be displayed
+/// @param AFileName	if empty a dialog box shows up
+/// @param load_data		1 (default): load data; 0: do not load data
+/// @param load_attr		1 (default): load attributes; 0: do not load attributes
+/// 						for proper wave scaling, the attributes must be loaded
 function /s adh5_load_complete(ANickName, APathName, AFileName, [load_data, load_attr])
-	// this function loads everything from a HDF5 file created by the Area Detector software.
+	string ANickName
-	// if the data is from the electron analyser driver and some special attributes are included,
+	string APathName
-	// the function will set the scales of the image dimensions.
+	string AFileName
-	string ANickName // destination folder name (top level under root)
+	variable load_data
-	string APathName // igor symbolic path name. can be empty if the path is specified in FileName or a dialog box should be displayed
+	variable load_attr
-	string AFileName // if empty a dialog box shows up
-	variable load_data // 1 (default): load data; 0: do not load data
-	variable load_attr // 1 (default): load attributes; 0: do not load attributes
-		// for proper wave scaling, the attributes must be loaded
 		
 	if (ParamIsDefault(load_data))
 		load_data = 1
@@ -222,30 +265,43 @@ function /s adh5_load_complete(ANickName, APathName, AFileName, [load_data, load
 	return AFileName
 end
 
+/// load and reduce a dataset from a HDF5 file created by the Area Detector software.
+///
+/// the resulting dataset is reduced in one image dimension by a user-defined reduction function,
+/// e.g. by region-of-interest integration, curve fitting, etc.
+///
+/// the function loads the dataset image by image using the hyperslab option
+/// and applies a custom reduction function to each image.
+/// the results from the reduction function are composed into one result wave.
+/// the raw data are discarded.
+///
+/// if the data is from the electron analyser driver and some special attributes are included,
+/// the function will set the scales of the image dimensions.
+///
+/// @param ANickName		destination folder name (top level under root)
+/// @param APathName		igor symbolic path name. can be empty if the path is specified in FileName or a dialog box should be displayed
+/// @param AFileName		if empty a dialog box shows up
+///
+/// @param reduction_func		custom reduction function
+/// 							(any user-defined function which has the same parameters as adh5_default_reduction())
+/// @param reduction_param	parameter string for the reduction function
+///
+/// @param load_data			1 (default): load data; 0: do not load data
+/// @param load_attr			1 (default): load attributes; 0: do not load attributes
+///							for proper wave scaling, the attributes must be loaded
+/// @param progress			1 (default): show progress window; 0: do not show progress window
+///
 function /s adh5_load_reduced(ANickName, APathName, AFileName, reduction_func, reduction_param, [load_data, load_attr, progress])
-	// this function loads a reduced dataset from a HDF5 file created by the Area Detector software.
+	string ANickName
-	// the resulting dataset is reduced in one image dimension by a user-defined reduction function,
+	string APathName
-	// e.g. by region-of-interest integration, curve fitting, etc.
+	string AFileName
 
-	// the function loads the dataset image by image using the hyperslab option
+	funcref adh5_default_reduction reduction_func
-	// and applies a custom reduction function to each image.
+	string reduction_param
-	// the results from the reduction function are composed into one result wave.
-	// the raw data are discarded.
 
-	// if the data is from the electron analyser driver and some special attributes are included,
+	variable load_data
-	// the function will set the scales of the image dimensions.
+	variable load_attr
-	string ANickName // destination folder name (top level under root)
+	variable progress
-	string APathName // igor symbolic path name. can be empty if the path is specified in FileName or a dialog box should be displayed
-	string AFileName // if empty a dialog box shows up
-
-	funcref adh5_default_reduction reduction_func // custom reduction function
-		// (any user-defined function which has the same parameters as adh5_default_reduction())
-	string reduction_param // parameter string for the reduction function
-
-	variable load_data // 1 (default): load data; 0: do not load data
-	variable load_attr // 1 (default): load attributes; 0: do not load attributes
-		// for proper wave scaling, the attributes must be loaded
-	variable progress // 1 (default): show progress window; 0: do not show progress window
 		
 	if (ParamIsDefault(load_data))
 		load_data = 1
@@ -306,18 +362,26 @@ function /s adh5_load_reduced(ANickName, APathName, AFileName, reduction_func, r
 	return AFileName
 end
 
+/// load a single image from a HDF5 file created by the Area Detector software.
+///
+/// the data wave is loaded into the current data folder.
+/// attributes are loaded into the attr subfolder. existing waves in attr are deleted.
+///
+/// @warning EXPERIMENTAL
+/// this function uses the root:pearl_area:preview data folder. existing data there may be deleted!
+///
+/// @param ANickName		destination wave name. the wave is created in the current data folder.
+/// @param APathName		igor symbolic path name. can be empty if the path is specified in FileName or a dialog box should be displayed
+/// @param AFileName		if empty a dialog box shows up
+/// @param load_data			1 (default): load data; 0: do not load data
+/// @param load_attr			1 (default): load attributes; 0: do not load attributes
+///							note: for correct scaling of the image, the attributes need to be loaded
 function /s adh5_load_preview(ANickName, APathName, AFileName, [load_data, load_attr])
-	// this function loads one image from a HDF5 file created by the Area Detector software.
+	string ANickName
-	// the data wave is loaded into the current data folder.
+	string APathName
-	// attributes are loaded into the attr subfolder. existing waves in attr are deleted.
+	string AFileName
-	// EXPERIMENTAL
+	variable load_data
-	// this function uses the root:pearl_area:preview data folder. existing data there may be deleted!
+	variable load_attr
-	string ANickName // destination wave name. the wave is created in the current data folder.
-	string APathName // igor symbolic path name. can be empty if the path is specified in FileName or a dialog box should be displayed
-	string AFileName // if empty a dialog box shows up
-	variable load_data // 1 (default): load data; 0: do not load data
-	variable load_attr // 1 (default): load attributes; 0: do not load attributes
-		// note: for correct scaling of the image, the attributes need to be loaded
 		
 	if (ParamIsDefault(load_data))
 		load_data = 1
@@ -412,13 +476,19 @@ function /s adh5_load_preview(ANickName, APathName, AFileName, [load_data, load_
 	return AFileName
 end
 
+/// load descriptive info from a HDF5 file created by the Area Detector software.
+///
+/// the information returned is the array size and active scans
+///
+/// @attention EXPERIMENTAL
+/// this function should be merged with adh5_load_preview
+///
+/// @param APathName		igor symbolic path name. can be empty if the path is specified in FileName or a dialog box should be displayed
+/// @param AFileName		if empty a dialog box shows up
+///
 function /s adh5_load_info(APathName, AFileName)
-	// this function loads descriptive info from a HDF5 file created by the Area Detector software.
+	string APathName
-	// the information returned is the array size and active scans
+	string AFileName
-	// EXPERIMENTAL
-	// this function should be merged with adh5_load_preview
-	string APathName // igor symbolic path name. can be empty if the path is specified in FileName or a dialog box should be displayed
-	string AFileName // if empty a dialog box shows up
 		
 	dfref saveDF = GetDataFolderDFR()
 
@@ -492,12 +562,17 @@ function /s adh5_load_info(APathName, AFileName)
 	return s_info
 end
 
+/// load the detector dataset from the open HDF5 file.
+///
+/// the function loads the whole dataset at once
+/// and redimensions it so that the image dimensions are X and Y
+///
+/// @param fileID				ID of open HDF5 file from HDF5OpenFile
+/// @param detectorpath		path to detector group in the HDF5 file
+///
 function adh5_load_detector(fileID, detectorpath)
-	// loads the detector dataset from the open HDF5 file
+	variable fileID
-	// the function loads the whole dataset at once
+	string detectorpath
-	// and redimensions it so that the image dimensions are X and Y
-	variable fileID	// ID of open HDF5 file from HDF5OpenFile
-	string detectorpath // path to detector group in the HDF5 file
 
 	// avoid compilation error if HDF5 XOP has not been loaded
 	#if Exists("HDF5LoadData")
@@ -526,19 +601,22 @@ function adh5_load_detector(fileID, detectorpath)
 	#endif
 end
 
+/// redimension a multi-dimensional area detector array loaded from HDF5.
+///
+/// so that the image dimensions are X and Y
+/// singleton dimensions are removed (most common cases only)
+///
+/// in the redimensioned array, the original dimension type is noted in the dimension label:
+/// AD_Dim0 = first image dimension
+/// AD_Dim1 = second image dimension
+/// AD_DimN = frame sequence
+/// AD_DimX = extra dimension X
+/// AD_DimY = extra dimension Y (cannot be loaded in Igor)
+///
+/// @param data			area detector data loaded from HDF5 to be redimensioned
+///	
 function adh5_redim(data)
-	// redimensions a multi-dimensional area detector array loaded from HDF5
+	wave data
-	// so that the image dimensions are X and Y
-	// singleton dimensions are removed (most common cases only)
-	
-	// in the redimensioned array, the original dimension type is noted in the dimension label:
-	// AD_Dim0 = first image dimension
-	// AD_Dim1 = second image dimension
-	// AD_DimN = frame sequence
-	// AD_DimX = extra dimension X
-	// AD_DimY = extra dimension Y (cannot be loaded in Igor)
-	
-	wave data // area detector data loaded from HDF5 to be redimensioned
 	
 	duplicate /free data, tempdata
 	variable nd = wavedims(tempdata)
@@ -608,29 +686,36 @@ function adh5_redim(data)
 	endswitch
 end
 
+/// find the attributes data folder of an area detector dataset.
+///
+/// since version 1.04 attributes should be stored in a subfolder named attr.
+/// earlier versions had the attributes in the same data folder as the actual dataset.
+///
+/// @param	data		wave containing the main dataset.
+///
+/// @return	data folder reference of the attributes folder. 
+///			the reference may be invalid (and default to root) if the folder cannot be found, 
+///			cf. built-in DataFolderRefStatus function.
 static function /DF GetAttrDataFolderDFR(data)
-	// returns a data folder reference to the ND attributes
-	// since version 1.04 attributes should be written in a subfolder named attr
-	// earlier versions had the attributes in the same data folder as the actual dataset
 	wave data
 	
-	dfref saveDF = GetDataFolderDFR()
 	dfref dataDF = GetWavesDataFolderDFR(data)
-	setdatafolder dataDF
+	dfref attrDF = dataDF:attr
-	if (DataFolderExists(":attr"))
+	if (DataFolderRefStatus(attrDF) == 0)
-		setdatafolder :attr
+		attrDF = dataDF
 	endif
-	dfref attrDF = GetDataFolderDFR()
+	
-	setdatafolder saveDF
 	return attrDF
 end
 
+/// set the dimension scales of an area detector dataset.
+///
+/// the intrinsic dimensions 0 and 1 are scaled according to the data source
+/// (currently supported: Prosilica cameras, Scienta electron analyser).
+/// the extra dimensions are scaled according to the scan.
+/// the latter requires that the positioner names and position values are available.
+///
 function adh5_scale(data,[source])
-	// tries to set the dimension scales of an area detector dataset.
-	// the intrinsic dimensions 0 and 1 are scaled according to the data source
-	// (currently supported: Prosilica cameras, Scienta electron analyser).
-	// the extra dimensions are scaled according to the scan.
-	// the latter requires that the positioner names and position values are available.
 	wave data
 	string source
 
@@ -671,14 +756,23 @@ function adh5_scale(data,[source])
 	setdatafolder saveDF	
 end
 
+/// load the detector dataset from the open HDF5 file.
+///
+/// the function loads the dataset image by image using the hyperslab option.
+/// this function gives the same result as adh5_load_detector.
+/// it is about 5% slower, and it depends on HDF5 Browser code.
+/// but it does not choke on large datasets (as long as the final wave fits into memory).
+///
+/// @param	fileID		ID of open HDF5 file from HDF5OpenFile.
+/// @param	detectorpath	path to detector group in the HDF5 file.
+/// @param	progress		1 (default): show progress window; 0: do not show progress window.
+///
+/// @return	0 if successful, non-zero if an error occurred.
+///
 function adh5_load_detector_slabs(fileID, detectorpath, [progress])
-	// loads the detector dataset from the open HDF5 file
+	variable fileID
-	// the function loads the dataset image by image using the hyperslab option
+	string detectorpath
-	// this function gives the same result as adh5_load_detector
+	variable progress
-	// it is about 5% slower, and it depends on HDF5 Browser code.
-	variable fileID	// ID of open HDF5 file from HDF5OpenFile
-	string detectorpath // path to detector group in the HDF5 file
-	variable progress // 1 (default): show progress window; 0: do not show progress window
 	
 	if (ParamIsDefault(progress))
 		progress = 1
@@ -821,23 +915,32 @@ function adh5_load_detector_slabs(fileID, detectorpath, [progress])
 	return result
 end
 
+/// load a single image from the detector dataset of the open HDF5 file
+///
+/// the function can average over a region in the extra dimensions.
+///
+/// @param fileID			ID of open HDF5 file from HDF5OpenFile
+/// @param detectorpath	path to detector group in the HDF5 file
+/// @param dim2start		2nd dimension coordinate of the first image
+///						note that the order of dimensions is reversed in the file
+///						2nd dimension = N dimension in area detector = dimension 0 of the three-dimensional HDF dataset
+///						set to 0 if dimension may not be present
+/// @param dim2count		number of subsequent images to average
+///						set to 1 if dimension  may not be present
+/// @param dim3start		3rd dimension coordinate of the first image
+///						note that the order of dimensions is reversed in the file
+///						3rd dimension = extra X dimension in area detector = dimension 0 of the four-dimensional HDF dataset
+///						set to 0 if dimension may not be present
+/// @param dim3count		number of subsequent images to average
+///						set to 1 if dimension may not be present
+///
 function adh5_load_detector_image(fileID, detectorpath, dim2start, dim2count, dim3start, dim3count)
-	// loads a single image from the detector dataset of the open HDF5 file
+	variable fileID
-	// the function can average over a region in the extra dimensions
+	string detectorpath
-	variable fileID	// ID of open HDF5 file from HDF5OpenFile
+	variable dim2start
-	string detectorpath // path to detector group in the HDF5 file
+	variable dim2count
-	variable dim2start // 2nd dimension coordinate of the first image
+	variable dim3start
-		// note that the order of dimensions is reversed in the file
+	variable dim3count
-		// 2nd dimension = N dimension in area detector = dimension 0 of the three-dimensional HDF dataset
-		// set to 0 if dimension may not be present
-	variable dim2count // number of subsequent images to average
-		// set to 1 if dimension  may not be present
-	variable dim3start // 3rd dimension coordinate of the first image
-		// note that the order of dimensions is reversed in the file
-		// 3rd dimension = extra X dimension in area detector = dimension 0 of the four-dimensional HDF dataset
-		// set to 0 if dimension may not be present
-	variable dim3count // number of subsequent images to average
-		// set to 1 if dimension may not be present
 	
 	// avoid compilation error if HDF5 XOP has not been loaded
 	#if Exists("HDF5LoadData")
@@ -922,10 +1025,12 @@ function adh5_load_detector_image(fileID, detectorpath, dim2start, dim2count, di
 	#endif
 end
 
+/// get a list of functions which can be used as reduction functions.
+///
+/// the function evaluates only the function arguments,
+/// it may thus include functions which are not suitable as reduction functions.
+///
 function /s adh5_list_reduction_funcs()
-	// returns a list of functions which can be used as reduction functions
-	// the function evaluates only the function arguments,
-	// it may thus include functions which are not suitable as reduction functions.
 	string all_funcs = FunctionList("*", ";", "KIND:6,NPARAMS:4,VALTYPE:1")
 	string result = ""
 	
@@ -960,26 +1065,35 @@ function /s adh5_list_reduction_funcs()
 	return result
 end
 
+/// function prototype for adh5_load_reduced_detector
+///
+/// derived functions reduce a two-dimensional dataset to a one-dimensional dataset,
+/// e.g. by ROI-integration, curve fitting, etc.
+// the resulting wave must have the same size as either dimension of the source image.
+///
+/// each destination wave is a one-dimensional intensity distribution.
+/// the function must redimension each of these waves to one of the image dimensions
+/// by calling the adh5_setup_profile() function.
+/// this function will also copy the scale information and dimension labels,
+/// which is important for the proper scaling of the result.
+///	
+/// the meaning of the data in dest1 and dest2 is up to the particular function,
+/// e.g. dest1 could hold the mean value and dest2 the one-sigma error,
+/// or dest1 could hold the X-profile, and dest2 the Y-profile.
+///
+/// @param source			source wave
+///							two-dimensional intensity distribution (image)
+/// @param dest1, dest2		destination waves
+/// @param param			string with optional parameters, shared between calls.
+///							this is a pass-by-reference argument,
+///							the function may modify the string
+///
+/// @return  zero if successful, non-zero if an error occurs.
+///
 threadsafe function adh5_default_reduction(source, dest1, dest2, param)
-	// function prototype for adh5_load_reduced_detector
+	wave source
-	// derived functions reduce a two-dimensional dataset to a one-dimensional dataset,
+	wave dest1, dest2
-	// e.g. by ROI-integration, curve fitting, etc.
+	string &param
-	// the resulting wave must have the same size as either dimension of the source image.
-	wave source // source wave
-		// two-dimensional intensity distribution (image)
-	wave dest1, dest2 // destination waves
-		// each wave is a one-dimensional intensity distribution
-		// the function must redimension each of these waves to one of the image dimensions
-		// by calling the adh5_setup_profile() function.
-		// this function will also copy the scale information and dimension labels,
-		// which is important for the proper scaling of the result.
-		
-		// the meaning of the data in dest1 and dest2 is up to the particular function,
-		// e.g. dest1 could hold the mean value and dest2 the one-sigma error,
-		// or dest1 could hold the X-profile, and dest2 the Y-profile.
-	string &param // string with optional parameters, shared between calls
-		// this is a pass-by-reference argument,
-		// the function may modify the string
 	
 	// demo code
 	// integrate along the dimensions	
@@ -988,13 +1102,15 @@ threadsafe function adh5_default_reduction(source, dest1, dest2, param)
 	adh5_setup_profile(source, dest2, 1)
 	ad_profile_y_w(source, 0, -1, dest2)
 	
-	return 0 // return zero if successful, non-zero if an error occurs
+	return 0
 end
 
+/// set up a one-dimensional wave for a line profile based on a 2D original wave.
+///
+/// redimensions the profile wave to the given dimension.
+/// copies the scale and dimension label of the given dimension.
+///
 threadsafe function adh5_setup_profile(image, profile, dim)
-	// sets up a one-dimensional wave for a line profile based on a 2D original wave
-	// redimensions the profile wave to the given dimension
-	// copies the scale and dimension label of the given dimension
 	wave image // prototype
 	wave profile // destination wave
 	variable dim // which dimension to keep: 0 = X, 1 = Y
@@ -1005,10 +1121,11 @@ threadsafe function adh5_setup_profile(image, profile, dim)
 	setdimlabel 0, -1, $getdimlabel(image, dim, -1), profile
 end
 
+/// wrapper function for testing reduction functions from the command line.
+///
+/// Igor does not allow global variables as pass-by-reference parameter for reduction_param.
+///
 function /s adh5_test_reduction_func(source, dest1, dest2, reduction_func, reduction_param)
-	// wrapper function for testing reduction functions from the command line.
-	// Igor does not allow global variables as pass-by-reference parameter for reduction_param.
-
 	wave source
 	wave dest1
 	wave dest2
@@ -1020,28 +1137,35 @@ function /s adh5_test_reduction_func(source, dest1, dest2, reduction_func, reduc
 	return reduction_param
 end
 
+/// load a reduced detector dataset from the open HDF5 file.
+///
+/// the function loads the dataset image by image using the hyperslab option
+/// and applies a custom reduction function to each image.
+/// the results from the reduction function are composed into one result wave.
+/// the raw data are discarded.
+///	
+/// by default, the reduction function is called in separate threads to reduce the total loading time.
+/// (see the global variable adh5_perf_secs which reports the total run time of the function.)
+/// the effect varies depending on the balance between file loading (image size)
+/// and data processing (complexity of the reduction function).
+/// for debugging the reduction function, multi-threading can be disabled.
+///
+/// @param fileID				ID of open HDF5 file from HDF5OpenFile
+/// @param detectorpath		path to detector group in the HDF5 file
+/// @param reduction_func		custom reduction function
+///							(any user-defined function which has the same parameters as adh5_default_reduction())
+/// @param reduction_param	parameter string for the reduction function
+/// @param progress			1 (default): show progress window; 0: do not show progress window
+/// @param nthreads			-1 (default): use as many threads as there are processor cores (in addition to main thread)
+///							0: use main thread only (e.g. for debugging the reduction function)
+///							>= 1: use a fixed number of (additional) threads
 function adh5_load_reduced_detector(fileID, detectorpath, reduction_func, reduction_param, [progress, nthreads])
-	// loads a reduced detector dataset from the open HDF5 file
+	variable fileID
-	// the function loads the dataset image by image using the hyperslab option
+	string detectorpath
-	// and applies a custom reduction function to each image.
+	funcref adh5_default_reduction reduction_func
-	// the results from the reduction function are composed into one result wave.
+	string reduction_param
-	// the raw data are discarded.
+	variable progress
-	
+	variable nthreads
-	// by default, the reduction function is called in separate threads to reduce the total loading time.
-	// (see the global variable adh5_perf_secs which reports the total run time of the function.)
-	// the effect varies depending on the balance between file loading (image size)
-	// and data processing (complexity of the reduction function).
-	// for debugging the reduction function, multi-threading can be disabled.
-	
-	variable fileID	// ID of open HDF5 file from HDF5OpenFile
-	string detectorpath // path to detector group in the HDF5 file
-	funcref adh5_default_reduction reduction_func // custom reduction function
-		// (any user-defined function which has the same parameters as adh5_default_reduction())
-	string reduction_param // parameter string for the reduction function
-	variable progress // 1 (default): show progress window; 0: do not show progress window
-	variable nthreads // -1 (default): use as many threads as there are processor cores (in addition to main thread)
-		// 0: use main thread only (e.g. for debugging the reduction function)
-		// >= 1: use a fixed number of (additional) threads
 		
 	if (ParamIsDefault(progress))
 		progress = 1
@@ -1340,17 +1464,21 @@ threadsafe static function reduce_slab_image(slabdata, image, profile1, profile2
 	return reduction_func(image, profile1, profile2, reduction_param)
 end
 
+/// load an NDAttributes group from an open HDF5 file into the current data folder.
+///
+/// datasets contained in the group are loaded as waves.
+/// if a dataset contains only one data point, it is added to the IN, ID, IV, IU waves,
+/// where IN = EPICS channel name, ID = attribute name, IV = value, IU = unit
+/// (units are left empty as they are not saved in HDF5).
+/// attributes of the NDAttributes group are added to the IN, ID, IV, IU waves,
+/// however, IN and IU are left empty as this information is not saved in the HDF5 file.
+///
+/// @param fileID				ID of open HDF5 file from HDF5OpenFile
+/// @param attributespath		path to NDAttributes group in the HDF5 file
+///
 function adh5_loadattr_all(fileID, attributespath)
-	// loads an NDAttributes group from an open HDF5 file into the current data folder.
+	variable fileID
-	// datasets contained in the group are loaded as waves.
+	string attributespath
-	// if a dataset contains only one data point, it is added to the IN, ID, IV, IU waves,
-	// where IN = EPICS channel name, ID = attribute name, IV = value, IU = unit
-	// (units are left empty as they are not saved in HDF5).
-	// attributes of the NDAttributes group are added to the IN, ID, IV, IU waves,
-	// however, IN and IU are left empty as this information is not saved in the HDF5 file.
-
-	variable fileID	// ID of open HDF5 file from HDF5OpenFile
-	string attributespath // path to NDAttributes group in the HDF5 file
 
 	string datasetname
 	string datawavename
@@ -1417,11 +1545,20 @@ function adh5_loadattr_all(fileID, attributespath)
 		
 end
 
+/// sub-function of adh5_loadattr_all.
+///
+/// reads one attribute from a wave which was loaded from an HDF5 file into the info waves IN, ID, IV, IU.
+/// the attribute is read only if the input wave contains exactly one item,
+/// i.e. either the measurement is a single image, or the attribute has string type.
+///
+/// @param datawavename		name of the attribute wave in the current folder.
+///							can be text or numeric.
+/// @param source			source identifier (EPICS name) of the attribute.
+/// @param idest				destination index in IN, ID, IV, IU where the results are written.
+///							the variable is incremented if data was written, otherwise it is left unchanged.
+///							make sure IN, ID, IV, IU have at least idest + 1 elements.
+///
 static function read_attribute_info(datawavename, source, idest)
-	// sub-function of adh5_loadattr_all.
-	// reads one attribute from a wave which was loaded from an HDF5 file into the info waves IN, ID, IV, IU.
-	// the attribute is read only if the input wave contains exactly one item,
-	// i.e. either the measurement is a single image, or the attribute has string type.
 	string datawavename // name of the attribute wave in the current folder.
 		// can be text or numeric.
 	string source
@@ -1467,12 +1604,14 @@ static function read_attribute_info(datawavename, source, idest)
 	endif
 end
 
+/// set the energy and angle scales of an area detector dataset from the Scienta analyser.
+///
+/// the dimension labels of the energy and angle scales must be set correctly:
+/// AD_Dim0 = energy dimension; AD_Dim1 = angle dimension.
+/// these dimensions must be the first two dimensions of a multi-dimensional dataset.
+/// normally, AD_Dim0 is the X dimension, and AD_Dim1 the Y dimension.
+///
 function adh5_scale_scienta(data)
-	// sets the energy and angle scales of an area detector dataset from the Scienta analyser
-	// the dimension labels of the energy and angle scales must be set correctly:
-	// AD_Dim0 = energy dimension; AD_Dim1 = angle dimension
-	// these dimensions must be the first two dimensions of a multi-dimensional dataset.
-	// normally, AD_Dim0 is the X dimension, and AD_Dim1 the Y dimension.
 	wave data
 	
 	dfref saveDF = GetDataFolderDFR()
@@ -1571,11 +1710,13 @@ function adh5_scale_scienta(data)
 	setdatafolder saveDF
 end
 
+/// scales the extra dimensions of an area detector dataset according to the EPICS scan
+///
+/// the scan positioner name and its values must be available
+///	
+/// @todo incomplete
+///
 function adh5_scale_scan(data)
-	// scales the extra dimensions of an area detector dataset according to the EPICS scan
-	// the scan positioner name and its values must be available
-	
-	// TODO: incomplete
 	wave data
 
 	dfref saveDF = GetDataFolderDFR()

pearl/pearl-arpes.ipf

@@ -5,6 +5,7 @@
 #include "pearl-area-display" // 2D and 3D data visualization
 #include "pearl-area-profiles" // data processing for multi-dimensional datasets
 #include "pearl-area-import" // import data files generated by area detector software
+#include "pearl-pshell-import"
 #include "pearl-data-explorer" // preview and import panel for PEARL data
 #include "pearl-anglescan-process"
 #include "pearl-anglescan-tracker" // live preview of hemispherical angle scan

pearl/pearl-data-explorer.ipf

@@ -1,36 +1,51 @@
 #pragma rtGlobals=3		// Use modern global access method and strict wave access.
 #pragma IgorVersion = 6.1
 #pragma ModuleName = PearlDataExplorer
-#pragma version = 1.41
+#pragma version = 1.43
-#include "pearl-area-import", version >= 1.06
+#include "pearl-area-import"
-#include "pearl-area-profiles", version >= 1.04
+#include "pearl-area-profiles"
-#include "pearl-area-display", version >= 1.04
+#include "pearl-area-display"
-
+#include "pearl-pshell-import"
-// preview and import panel for PEARL data:
-// scienta analyser, prosilica cameras, s-scans, otf-scans
-
-// $Id$
-// author: matthias.muntwiler@psi.ch
-// Copyright (c) 2013-14 Paul Scherrer Institut
 
+// copyright (c) 2013-16 Paul Scherrer Institut
+//
 // Licensed under the Apache License, Version 2.0 (the "License");
 //   you may not use this file except in compliance with the License.
 //   You may obtain a copy of the License at
-//   http://www.apache.org/licenses/LICENSE-2.0
+//   http:///www.apache.org/licenses/LICENSE-2.0
+
+/// @file
+/// @brief preview and import panel for PEARL data
+/// @ingroup ArpesPackage
+///
+///
+/// preview and import panel for PEARL data:
+/// scienta analyser, prosilica cameras, s-scans, otf-scans
+
+/// @namespace PearlDataExplorer
+/// @brief preview and import panel for PEARL data
+///
+/// PearlDataExplorer is declared in @ref pearl-data-explorer.ipf.
 
 static strconstant package_name = "pearl_explorer"
 static strconstant package_path = "root:packages:pearl_explorer:"
 
+static strconstant ks_filematch_adh5 = "*.h5"
+static strconstant ks_filematch_pshell = "psh*.h5"
+static strconstant ks_filematch_itx = "*.itx"
+
 function pearl_data_explorer()
 	init_package()
 	load_prefs()
 	execute /q/z "PearlDataExplorer()"
 end
 
+/// initialize the global variables of the data explorer.
+///
+/// initializes the global variables and data folder for this procedure file
+/// must be called once before the panel is created
+/// warning: this function overwrites previous values
 static function init_package()
-	// initializes the global variables and data folder for this procedure file
-	// must be called once before the panel is created
-	// warning: this function overwrites previous values
 
 	dfref savefolder = GetDataFolderDFR()
 	SetDataFolder root:
@@ -64,7 +79,8 @@ static function init_package()
 	string /g s_preview_source = "" // data source, e.g. EPICS channel name, of the current preview
 	string /g s_profiles_graph = "" // window name of the current preview if the data is two-dimensional
 	string /g s_preview_trace_graph = "" // window name of the current preview if the data is one-dimensional
-
+	string /g s_file_info = "" // description of selected file
+	
 	variable/g v_InitPanelDone = 1
 	
  	SetDataFolder savefolder
@@ -201,9 +217,11 @@ static function preview_file(filename)
 	
 	dfref saveDF = GetDataFolderDFR()
 
-	if (StringMatch(filename, "*.h5"))
+	if (StringMatch(filename, ks_filematch_pshell))
+		wave /z image = preview_pshell_file(filename)
+	elseif (StringMatch(filename, ks_filematch_adh5))
 		wave /z image = preview_hdf_file(filename)
-	elseif (StringMatch(filename, "*.itx"))
+	elseif (StringMatch(filename, ks_filematch_itx))
 		wave /z image = preview_itx_file(filename)
 	endif
 	
@@ -224,6 +242,49 @@ static function preview_file(filename)
 	setdatafolder saveDF
 end
 
+/// load the preview of a PShell HDF5 file (not implemented).
+///
+/// the preview is an arbitrary detector image extracted from the file, see adh5_load_preview().
+/// the preview is loaded to the preview_image wave in the pear_explorer data folder.
+///
+/// the s_file_info string is updated with information about the scan dimensions.
+///
+/// @param	filename		name of a file in the directory specified by the pearl_explorer_filepath path object.
+///
+/// @return	wave reference of the preview image
+///
+static function /wave preview_pshell_file(filename)
+	string filename
+
+	dfref saveDF = GetDataFolderDFR()
+	setdatafolder $package_path
+	svar s_preview_file
+	svar s_preview_source
+	psh5_load_preview("preview_image", "pearl_explorer_filepath", filename)
+	s_preview_file = filename
+	s_preview_source = ""
+	wave /z preview_image
+	
+	svar /z s_file_info
+	if (! svar_exists(s_file_info))
+		string /g s_file_info
+	endif
+	if (strlen(s_preview_file) > 0)
+		s_file_info = psh5_load_info("pearl_explorer_filepath", filename)
+	else
+		s_file_info = ""
+	endif
+	
+	if (DataFolderExists("attr"))
+		setdatafolder attr
+		preview_attributes(GetDataFolderDFR())
+		setdatafolder ::
+	endif
+	
+	setdatafolder saveDF
+	return preview_image
+end
+
 /// load the preview of a PEARL HDF5 file.
 ///
 /// the preview is an arbitrary detector image extracted from the file, see adh5_load_preview().
@@ -777,13 +838,19 @@ static function load_file(filename, [options])
 	
 	dfref saveDF = GetDataFolderDFR()
 
-	if (StringMatch(filename, "*.h5"))
+	if (StringMatch(filename, ks_filematch_pshell))
+		if (ParamIsDefault(options))
+			load_pshell_file(filename)
+		else
+			load_pshell_file(filename, options=options)
+		endif
+	elseif (StringMatch(filename, ks_filematch_adh5))
 		if (ParamIsDefault(options))
 			load_hdf_file(filename)
 		else
 			load_hdf_file(filename, options=options)
 		endif
-	elseif (StringMatch(filename, "*.itx"))
+	elseif (StringMatch(filename, ks_filematch_itx))
 		load_itx_file(filename)
 	endif
 	
@@ -796,7 +863,7 @@ static function prompt_hdf_options(options)
 	string mode = StringByKey("mode", options, ":", ";")
 	string reduction_func = StringByKey("reduction_func", options, ":", ";")
 	
-	string modes = "adh5_load_reduced"
+	string modes = "load_reduced"
 	string reduction_functions = adh5_list_reduction_funcs()
 	
 	if (strlen(mode) == 0)
@@ -817,17 +884,19 @@ static function prompt_hdf_options(options)
 	return v_flag // 0 = OK, 1 = cancel
 end
 
+/// prototype for prompting for processing function parameters.
+///
+/// the function should prompt the user for function parameters,
+/// and update the param argument if the user clicked OK.
+/// returns 0 if the user clicked OK, 1 if the user cancelled.
+///	
+/// prompt functions must have the same name as the corresponding reduction function
+/// with the prefix "prompt_".
+/// be aware of the limited length of function names in Igor.
+///
+/// this function is a prototype. it does nothing but returns OK.
+///
 function prompt_default_process(param)
-	// prototype for prompting for processing function parameters.
-	// the function should prompt the user for function parameters,
-	// and update the param argument if the user clicked OK.
-	// returns 0 if the user clicked OK, 1 if the user cancelled.
-	
-	// prompt functions must have the same name as the corresponding reduction function
-	// with the prefix "prompt_".
-	// be aware of the limited length of function names in Igor.
-	
-	// this function is a prototype. it does nothing but returns OK.
 	string &param
 	
 	return 0
@@ -847,6 +916,57 @@ function prompt_func_params(func_name, func_param)
 	endif
 end
 
+static function /df load_pshell_file(filename, [options])
+	string filename
+	string options
+
+	dfref saveDF = GetDataFolderDFR()
+	string nickname = ad_suggest_foldername(filename)
+	string loaded_filename = ""
+	
+	if (ParamIsDefault(options))
+		loaded_filename = psh5_load_complete(nickname, "pearl_explorer_filepath", filename)
+	else
+		if (strlen(options) == 0)
+			svar pref_options = $(package_path + "s_hdf_options")
+			options = pref_options
+			if (prompt_hdf_options(options) == 0)
+				// OK
+				pref_options = options
+			else
+				// cancel
+				options = ""
+			endif
+		endif
+		
+		string mode = StringByKey("mode", options, ":", ";")
+		
+		strswitch(mode)
+			case "load_reduced":
+				string reduction_func = StringByKey("reduction_func", options, ":", ";")
+				svar pref_params = $(package_path + "s_reduction_params")
+				string reduction_params = pref_params
+				if (prompt_func_params(reduction_func, reduction_params) == 0)
+					pref_params = reduction_params
+					psh5_load_reduced(nickname, "pearl_explorer_filepath", filename, $reduction_func, reduction_params)
+					svar s_filepath
+					loaded_filename = s_filepath
+				endif
+				break
+		endswitch
+	endif
+
+	dfref dataDF	
+	if (strlen(loaded_filename) > 0)
+		setdatafolder $("root:" + nickname)
+		dataDF = GetDataFolderDFR()
+		string /g pearl_explorer_import = "load_pshell_file"
+	endif
+	
+	setdatafolder saveDF
+	return dataDF
+end
+
 static function /df load_hdf_file(filename, [options])
 	string filename
 	string options
@@ -873,7 +993,7 @@ static function /df load_hdf_file(filename, [options])
 		string mode = StringByKey("mode", options, ":", ";")
 		
 		strswitch(mode)
-			case "adh5_load_reduced":
+			case "load_reduced":
 				string reduction_func = StringByKey("reduction_func", options, ":", ";")
 				svar pref_params = $(package_path + "s_reduction_params")
 				string reduction_params = pref_params

pearl/pearl-fitfuncs.ipf

@@ -2,6 +2,7 @@
 #pragma IgorVersion = 6.2
 #pragma ModuleName = PearlFitFuncs
 #pragma version = 1.01
+#include "mm-physconst", version >= 1.05
 
 // various fit functions for photoelectron spectroscopy
 
@@ -682,7 +683,7 @@ function FermiGaussConv(pw, yw, xw) : FitFunc
 	variable xd = wavemin(xdw) / oversampling
 	
 	// calculate gausswave size based on pw[5] and precision variable
-	variable x0g = pw[5] * precision_g
+	variable x0g = abs(pw[5]) * precision_g
 	variable ng = 2 * floor(x0g / xd) + 1
 	
 	// calculate fermiwave size based on desired range for yw